ethyl 4-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C22H26N6O4S/c1-3-32-22(31)26-10-8-15(9-11-26)27-20(30)16-6-4-5-7-17(16)24-21(27)33-13-19(29)28-14(2)12-18(23)25-28/h4-7,12,15H,3,8-11,13H2,1-2H3,(H2,23,25)